N-[(2S)-1,1-dicyclopropyl-3-[4-[5-formyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(2S)-1,1-dicyclopropyl-3-[4-[5-(hydroxymethyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C66H94N12O8Si2 — CID 165014506

About N-[(2S)-1,1-dicyclopropyl-3-[4-[5-formyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(2S)-1,1-dicyclopropyl-3-[4-[5-(hydroxymethyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(2S)-1,1-dicyclopropyl-3-[4-[5-formyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(2S)-1,1-dicyclopropyl-3-[4-[5-(hydroxymethyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 165014506) has the molecular formula C66H94N12O8Si2 and a molecular weight of 1239.73 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclopropyl-3-[4-[5-formyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(2S)-1,1-dicyclopropyl-3-[4-[5-(hydroxymethyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1,1-dicyclopropyl-3-[4-[5-formyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(2S)-1,1-dicyclopropyl-3-[4-[5-(hydroxymethyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 165014506
• Molecular Formula: C66H94N12O8Si2
• Molecular Weight: 1239.73 g/mol
• Exact Mass: 1238.69
• IUPAC Name: N-[(2S)-1,1-dicyclopropyl-3-[4-[5-formyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(2S)-1,1-dicyclopropyl-3-[4-[5-(hydroxymethyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: Cc1nn(COCC[Si](C)(C)C)c(C=O)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)cc1.Cc1nn(COCC[Si](C)(C)C)c(CO)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)cc1
• InChI: InChI=1S/C33H48N6O4Si.C33H46N6O4Si/c2*1-21(2)39-27(15-16-34-39)32(41)36-31(30(24-7-8-24)25-9-10-25)33(42)35-26-13-11-23(12-14-26)29-22(3)37-38(28(29)19-40)20-43-17-18-44(4,5)6/h11-16,21,24-25,30-31,40H,7-10,17-20H2,1-6H3,(H,35,42)(H,36,41);11-16,19,21,24-25,30-31H,7-10,17-18,20H2,1-6H3,(H,35,42)(H,36,41)/t2*31-/m00/s1
• InChIKey: KFEJHDRQBLLAOT-RDQDPSSYSA-N
• XLogP: 11.55
• TPSA: 243.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 30
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1239.73
LogP ≤ 5	11.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[4-[5-formyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(2S)-1,1-dicyclopropyl-3-[4-[5-(hydroxymethyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[4-[5-formyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(2S)-1,1-dicyclopropyl-3-[4-[5-(hydroxymethyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 165014506) is N-[(2S)-1,1-dicyclopropyl-3-[4-[5-formyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(2S)-1,1-dicyclopropyl-3-[4-[5-(hydroxymethyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-1,1-dicyclopropyl-3-[4-[5-formyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(2S)-1,1-dicyclopropyl-3-[4-[5-(hydroxymethyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[(2S)-1,1-dicyclopropyl-3-[4-[5-formyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(2S)-1,1-dicyclopropyl-3-[4-[5-(hydroxymethyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is Cc1nn(COCC[Si](C)(C)C)c(C=O)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)cc1.Cc1nn(COCC[Si](C)(C)C)c(CO)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)cc1.

What is the InChIKey of N-[(2S)-1,1-dicyclopropyl-3-[4-[5-formyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(2S)-1,1-dicyclopropyl-3-[4-[5-(hydroxymethyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is KFEJHDRQBLLAOT-RDQDPSSYSA-N. The full InChI is InChI=1S/C33H48N6O4Si.C33H46N6O4Si/c2*1-21(2)39-27(15-16-34-39)32(41)36-31(30(24-7-8-24)25-9-10-25)33(42)35-26-13-11-23(12-14-26)29-22(3)37-38(28(29)19-40)20-43-17-18-44(4,5)6/h11-16,21,24-25,30-31,40H,7-10,17-20H2,1-6H3,(H,35,42)(H,36,41);11-16,19,21,24-25,30-31H,7-10,17-18,20H2,1-6H3,(H,35,42)(H,36,41)/t2*31-/m00/s1.

What are the key properties of N-[(2S)-1,1-dicyclopropyl-3-[4-[5-formyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(2S)-1,1-dicyclopropyl-3-[4-[5-(hydroxymethyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

N-[(2S)-1,1-dicyclopropyl-3-[4-[5-formyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(2S)-1,1-dicyclopropyl-3-[4-[5-(hydroxymethyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 1239.73 g/mol, XLogP of 11.55, 30 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1,1-dicyclopropyl-3-[4-[5-formyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(2S)-1,1-dicyclopropyl-3-[4-[5-(hydroxymethyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 165014506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).